TL;DR: (2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide (CAS 332919-88-7) is a chemical compound with molecular formula C20H12BrN3O4 and molecular weight 437.00113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide
Also Known As: BAS 01851705, (E)-3-(5-(4-bromophenyl)furan-2-yl)-2-cyano-N-(4-nitrophenyl)acrylamide, 3-[5-(4-Bromo-phenyl)-furan-2-yl]-2-cyano-N-(4-nitro-phenyl)-acrylamide, (2E)-3-[5-(4-bromophenyl)(2-furyl)]-2-cyano-N-(4-nitrophenyl)prop-2-enamide, (2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide
| Molecular Formula | C20H12BrN3O4 |
| Molecular Weight | 437.00113 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.00113 Da |
| Heavy Atoms | 28 |
| Complexity | 652.0 |
| SMILES | C1=CC(=CC=C1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Br |
| InChIKey | SOPXBMBDWBILPY-SDNWHVSQSA-N |
The XLogP value of 4.9 indicates that (2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide is 332919-88-7.
The molecular formula of (2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide is C20H12BrN3O4.
The molecular weight of (2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide is 437.00113 g/mol.
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